Basic information
- CAS
88824-26-4- Standard SMILES
N#CC1(OC2OC(CO)C(O)C(O)C2O)C=CCC1- InChIKey
HBCFZAXOSTUEHA-UHFFFAOYSA-N- Molecular formula
- C12H17NO6
- Average molar mass
- 271.27 g/mol
- Monoisotopic mass
- 271.10558726
Overview
Tetraphyllin A has been reported in Malesherbia, Passiflora, and other organisms with data available.
Names & identifiers
- Preferred name
- Tetraphyllin A
- IUPAC
- 1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-ene-1-carbonitrile
Names & synonyms
Tetraphyllin ARefChem:10997351-(3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxycyclopent-2-ene-1-carbonitrileNSC370273NSC-370273TETRAPHYLLIN A: DEIDACLIN (KCS-4CA)
Database identifiers
- CAS
88824-26-4- PubChem CID
- 435459
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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